2-hydroxy-5-[2-(4-nitrophenyl)diazen-1-yl]benzoic acid

• ChemBase ID: 158731
• Molecular Formular: C13H9N3O5
• Molecular Mass: 287.22766
• Monoisotopic Mass: 287.0542204
• SMILES: c1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O
• InChI: InChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,17H,(H,18,19)
• InChIKey: YVJPMMYYRNHJAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-5-[2-(4-nitrophenyl)diazen-1-yl]benzoic acid
• IUPAC Traditional name: 2-hydroxy-5-[2-(4-nitrophenyl)diazen-1-yl]benzoic acid
• Synonyms: 5-(4-Nitrophenylazo)salicylic acid; Alizarin Yellow R; MO1; Mordant Orange 1

Database IDs

• CAS Number: 2243-76-7
• EC Number: 218-818-3
• MDL Number: MFCD00007313
• Beilstein Number: 962365
• PubChem SID: 24851672; 162252867
• PubChem CID: 5918804
• Color Index Number: 14030

CALCULATED PROPERTIES

• Acid pKa: 3.2277665
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 2.071656
• LogD (pH = 7.4): 0.88268167
• Log P: 4.323141
• Molar Refractivity: 76.9388 cm^3
• Polarizability: 26.490877 Å^3
• Polar Surface Area: 128.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.)
• Absorption Wavelength: λmax 385 nm

Safety Information

• RTECS: VO5310000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Compostion: Dye content, 70%
• Linear Formula: O2NC6H4N=NC6H3-2-(OH)CO2H

DETAILS

Sigma Aldrich - 195073

Application
Presently, azo dyes are used for coloring many different materials such as textile, leather, plastics, food, and pharmaceuticals and for manufacturing paints and lacquers and for printings purposes as well <<<14>>>
Packaging
25, 100 g in glass bottle